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BDBM50025846 2-[(Imidazole-1-carbonyl)-amino]-pentanoic acid methyl ester::CHEMBL306418

SMILES: CCC[C@H](NC(=O)n1ccnc1)C(=O)OC

InChI Key: InChIKey=SEQYBJSLAOAGAV-QMMMGPOBSA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50025846   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Leukocyte elastase


(Homo sapiens (Human))
BDBM50025846
PNG
(2-[(Imidazole-1-carbonyl)-amino]-pentanoic acid me...)
Show SMILES CCC[C@H](NC(=O)n1ccnc1)C(=O)OC
Show InChI InChI=1S/C10H15N3O3/c1-3-4-8(9(14)16-2)12-10(15)13-6-5-11-7-13/h5-8H,3-4H2,1-2H3,(H,12,15)/t8-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
3.20E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ki value was evaluated for the inhibition of human leukocyte elastase


J Med Chem 28: 204-9 (1985)


BindingDB Entry DOI: 10.7270/Q29S1Q1V
More data for this
Ligand-Target Pair
Pancreatic elastase


(Sus scrofa (Pig))
BDBM50025846
PNG
(2-[(Imidazole-1-carbonyl)-amino]-pentanoic acid me...)
Show SMILES CCC[C@H](NC(=O)n1ccnc1)C(=O)OC
Show InChI InChI=1S/C10H15N3O3/c1-3-4-8(9(14)16-2)12-10(15)13-6-5-11-7-13/h5-8H,3-4H2,1-2H3,(H,12,15)/t8-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
8.40E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 28: 204-9 (1985)


BindingDB Entry DOI: 10.7270/Q29S1Q1V
More data for this
Ligand-Target Pair